Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MAAILQIIGFKNSGKTTLLNALIRASRKENYTVSAIKHDAHDFSVDHAGTDSYSFQESGAEAVVIANSRQYAVMEQTGIDLKTAIQ--KLPESDIVLIEGYKEGPFPKIILVREQAEIELLKNSKAVHKIATHNPALKKEAIFIGEENALNLFAETLIKEFLK
4NKR Chain:A ((3-128))
---IVQVVGFQNSGKTTFIERILEKASEQGLNLGCLKHH-------------DRYQAAGADVTAVEGAGVLQLTARRLWDLTRLIELYQFLETDCLLIEGFKKAPYPKVVILSEKEDLEALKTVNTI------------------------------------
General information:
TITO was launched using:
RESULT:
Template:
4NKR.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -46529 for 635 contacts (-73.3/contact) +
2D Compatibility (PS) -12265 + (NN) -7357 + (LL) 4084
1D Compatibility (HY) -11200 + (ID) 1600
Total energy: -74867.0 ( -117.90 by residue)
QMean score : 0.529
(partial model without unconserved sides chains):
PDB file :
Tito_4NKR.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4NKR-query.scw
PDB file :
Tito_Scwrl_4NKR.pdb
: